Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNQKGRGLEILINEKQDGQWLFSVLKTALKA-SKPVIQDWMSHQQIKVNHESVLN-NMIVKKGDRVFIDLQESEASSVIPEYGELDILFEDNHMLIINKPAGIATHPNEDGQTGTLANLIAYHYQINGETCKVRHVHRLDQDTSGAIVFAKHRLAHAILDQQLEKKTLKRTYTAIAEGKLRTKKGTINSPIGRDRSHPTRRRVSPGGQTAVTHFKVMASNAKERLSLVELELETGRTHQIRVHLASLGHPLTGDSLYGGGS--------------KLLNRQALHANKVQAVHPITDELIVAEAPFPADMKNLCRTYFS----------- 2IST Chain:A ((1-324)) --AQRVQLTATVSENQLGQRLDQALAEMFPDYSRSRIKEWILDQRVLVNGKVCDKPKEKVLGGEQVAINAEIERFE---PQDIPLDIVYEDEDIIIINKPRDLVVHPGAGNPDGTVLNALLHYYPPIADVPRAGIVHRLDKDTTGLMVVAKTVPAQTRLVESLQRREITREYEAVAIGHMT-AGGTVDEPISRHPTKRTHMAVHPMGKPAVTHYRIMEHFRV--HTRLRLRLETGRTHQIRVHMAHITHPLVGDPVYGGRPRPPKGASEAFISTLRKFDRQALHATMLRLYHPISGIEMEWHAPIPQDMVELIEVMRADFEEHKDEVDW

General information: TITO was launched using: RESULT: Template: 2IST.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1512 -135603 -89.68 -461.23 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -89.68 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.472

(partial model without unconserved sides chains): PDB file : Tito_2IST.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2IST-query.scw PDB file : Tito_Scwrl_2IST.pdb: